4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C9H14N4O2S — CID 95732618

IUPAC4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(N2CCC[C@@H](N)C2)sc1C(=O)O
InChIInChI=1S/C9H14N4O2S/c10-5-2-1-3-13(4-5)9-12-7(11)6(16-9)8(14)15/h5H,1-4,10-11H2,(H,14,15)/t5-/m1/s1
InChIKeyTWFKSXXUIRIWRJ-RXMQYKEDSA-N
MW242.30 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 95732618) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID95732618
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(N2CCC[C@@H](N)C2)sc1C(=O)O
InChIInChI=1S/C9H14N4O2S/c10-5-2-1-3-13(4-5)9-12-7(11)6(16-9)8(14)15/h5H,1-4,10-11H2,(H,14,15)/t5-/m1/s1
InChIKeyTWFKSXXUIRIWRJ-RXMQYKEDSA-N
XLogP0.35
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116668392
4-amino-2-(3-aminopiperidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669721
4-amino-2-(3-aminopiperidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669739
4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671883
4-amino-2-(3-aminopiperidin-1-yl)-N-(2-chloroprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 116672644
4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672068
4-amino-2-(3-aminopiperidin-1-yl)-N-but-3-en-2-yl-1,3-thiazole-5-carboxamide
CID 116672879
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 116665678
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670754
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 116667593
4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667439

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 95732618) is 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is Nc1nc(N2CCC[C@@H](N)C2)sc1C(=O)O.
What is the InChIKey of 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is TWFKSXXUIRIWRJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-5-2-1-3-13(4-5)9-12-7(11)6(16-9)8(14)15/h5H,1-4,10-11H2,(H,14,15)/t5-/m1/s1.
What are the key properties of 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 95732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).